CID 53428670

Ethyl 2-((4-chlorophenyl)amino)thiazole-4-carboxylate

Structural Information

Molecular Formula
C12H11ClN2O2S
SMILES
CCOC(=O)C1=CSC(=N1)NC2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H11ClN2O2S/c1-2-17-11(16)10-7-18-12(15-10)14-9-5-3-8(13)4-6-9/h3-7H,2H2,1H3,(H,14,15)
InChIKey
ULUBAPWNHROTEU-UHFFFAOYSA-N
Compound name
ethyl 2-(4-chloroanilino)-1,3-thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

30
Patents

282.02298 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.03026 160.5
[M+Na]+ 305.01220 169.9
[M-H]- 281.01570 166.8
[M+NH4]+ 300.05680 178.2
[M+K]+ 320.98614 164.9
[M+H-H2O]+ 265.02024 153.9
[M+HCOO]- 327.02118 176.0
[M+CH3COO]- 341.03683 196.5
[M+Na-2H]- 302.99765 161.6
[M]+ 282.02243 166.0
[M]- 282.02353 166.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe